Guanine quadruplex (G4) structures in the viral genome have a key role in modulating viruses' biological activity. While several DNA G4 structures have been experimentally resolved, RNA G4s are definitely less explored. We report the first calculated G4 structure of the RG-1 RNA sequence of SARS-CoV-2 genome, obtained by using a multiscale approach combining quantum and classical molecular modeling and corroborated by the excellent agreement between the corresponding calculated and experimental circular dichroism spectra. We prove the stability of the RG-1 G4 arrangement as well as its interaction with G4 ligands potentially inhibiting viral protein translation.

Miclot T., Hognon C., Bignon E., Terenzi A., Marazzi M., Barone G., et al. (2021). Structure and Dynamics of RNA Guanine Quadruplexes in SARS-CoV-2 Genome. Original Strategies against Emerging Viruses. THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 12(42), 10277-10283 [10.1021/acs.jpclett.1c03071].

Structure and Dynamics of RNA Guanine Quadruplexes in SARS-CoV-2 Genome. Original Strategies against Emerging Viruses

Miclot T.
Primo
;
Terenzi A.;Barone G.
Penultimo
;
2021-10-28

Abstract

Guanine quadruplex (G4) structures in the viral genome have a key role in modulating viruses' biological activity. While several DNA G4 structures have been experimentally resolved, RNA G4s are definitely less explored. We report the first calculated G4 structure of the RG-1 RNA sequence of SARS-CoV-2 genome, obtained by using a multiscale approach combining quantum and classical molecular modeling and corroborated by the excellent agreement between the corresponding calculated and experimental circular dichroism spectra. We prove the stability of the RG-1 G4 arrangement as well as its interaction with G4 ligands potentially inhibiting viral protein translation.
28-ott-2021
Settore CHIM/03 - Chimica Generale E Inorganica
Miclot T., Hognon C., Bignon E., Terenzi A., Marazzi M., Barone G., et al. (2021). Structure and Dynamics of RNA Guanine Quadruplexes in SARS-CoV-2 Genome. Original Strategies against Emerging Viruses. THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 12(42), 10277-10283 [10.1021/acs.jpclett.1c03071].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10447/530545
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